Theoretical computation of normalised radii, density and global hardness as a function of orbital exponent

Chaudhary S., Chaudhary A., Rajak S. K., Kaya S., Elik M., Chakraborty T.

JOURNAL OF MATHEMATICAL CHEMISTRY, cilt.59, ss.1014-1028, 2021 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 59
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1007/s10910-021-01224-8
  • Dergi Adı: JOURNAL OF MATHEMATICAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, zbMATH
  • Sayfa Sayıları: ss.1014-1028
  • Anahtar Kelimeler: Orbital exponent, Atomic density, Atomic hardness, Effective nuclear charge
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

The recent work has an aim to establish a pivotal role of orbital exponent in the normalized atomic radii, atomic density and atomic hardness. These three periodic descriptors help to understand the real scenario of an element. Concerning the effective nuclear charge, screening constant and effective principal quantum number, we have developed a new relation between these periodic properties and invoked a new formula by which we can compute the normalized radii, density and global atomic hardness in terms of the orbital exponent. With comparison to the existing famous formulae originating from different concepts, we can conclude that our empirical computation has an inherent efficacy to predict periodicity.